SCHEMBL15419934

SCHEMBL15419934

Cc1cnn(-c2ccc(OC[C@H]3COCC[C@@H]3NC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.40
RIPK2 O43353 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KAT5 Q92993 1/20 0.35
ACACB O00763 1/20 0.35
MMP1 P03956 1/20 0.34
KDM1A O60341 1/20 0.34
RET P07949 5/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15419935 1.00 CHRM1 (0.40) CHRM1RIPK2HRH3KAT5ACACB
SCHEMBL12989206 1.00 CHRM1 (0.40) CHRM1RIPK2HRH3KAT5ACACB
SCHEMBL12989884 0.90 CHRM1 (0.42) CHRM1RIPK2HRH3KAT5ACACB
SCHEMBL12989883 0.90 CHRM1 (0.42) CHRM1RIPK2HRH3KAT5ACACB
SCHEMBL12989636 0.84 ACACB (0.34) ACACBMMP1KDM1ARETAXL
SCHEMBL15419886 0.84 ACACB (0.34) ACACBMMP1KDM1ARETAXL
SCHEMBL15420129 0.81 KAT5 (0.38) CHRM1RIPK2HRH3KAT5ACACB
SCHEMBL15419964 0.81 KAT5 (0.38) CHRM1RIPK2HRH3KAT5ACACB
SCHEMBL15420102 0.81 KAT5 (0.38) CHRM1RIPK2HRH3KAT5ACACB
SCHEMBL12989202 0.81 HRH3 (0.36) CHRM1RIPK2HRH3KAT5ACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 CHRM1 227/4885RIPK2 3786/4885HRH3 1365/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.